(3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-[(3-methyl-2-quinoxalinyl)methyl]-N-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-phenethylpiperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-phenethyl-amine Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4/c1-19-24(26-23-13-7-6-12-22(23)25-19)18-28-15-8-11-21(17-28)27(2)16-14-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,8,11,14-18H2,1-2H3/p+1/t21-/m0/s1